Isopulegol hydrate

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 208544

CAS#: 3564-98-5

Description: Isopulegol hydrate is used in the synthesis of (-)-isopulegol hydrate, (-)-cubebaol, and p-tolualdehyde as well as (-)-6-hydroxy-4-methyl-1-cyclohexene-1-methanol acetate, an intermediate in the total synthesis of lycopodium alkaloid magellanine. Other alpha,beta-unsaturated aldehydes give rise to chiral cyclohexadienes via formal [4 + 2] reactions

Chemical Structure

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Isopulegol hydrate
CAS# 3564-98-5
Instruction

Theoretical Analysis

MedKoo Cat#: 208544
Name: Isopulegol hydrate
CAS#: 3564-98-5
Chemical Formula: C10H20O2
Exact Mass: 172.15
Molecular Weight: 172.270
Elemental Analysis: C, 69.72; H, 11.70; O, 18.57

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: Isopulegol hydrate, EPA Pesticide Chemical Code 011550, Isopulegol hydrate, Menthoglycol

IUPAC/Chemical Name: Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1-alpha,2-beta,4-beta)-

InChi Key: LMXFTMYMHGYJEI-CIUDSAMLSA-N

InChi Code: InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m0/s1

SMILES Code: OC(C)(C)[C@@H]1[C@@H](O)C[C@@H](C)CC1

Appearance: To be determined

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 172.27 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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Hong BC, Wu MF, Tseng HC, Liao JH. Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol. Org Lett. 2006 May 25;8(11):2217-20. doi: 10.1021/ol060486+. PMID: 16706490.